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Modulating the Combinatorial Target Power of MgSnN2 via RF Magnetron Sputtering for Enhanced Optoelectronic Performance: Mechanistic Insights from DFT Studies

  • Karthik kumar Chinnakutti
    Karthik kumar Chinnakutti
    Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand
  • A.M. Kamalan Kirubaharan
    A.M. Kamalan Kirubaharan
    Coating Department, Centre for Functional and Surface Functionalised Glass, Alexander Dubcek University of Trencin, Trencin 91150, Slovakia
  • Lokanath Patra
    Lokanath Patra
    Department of Mechanical Engineering, University of California, Santa Barbara, California 93106, United States
    Department of Physics, Michigan Technological University, Houghton, Michigan 49931, United States
  • Ravindra Pandey
    Ravindra Pandey
    Department of Physics, Michigan Technological University, Houghton, Michigan 49931, United States
  • Jayaraman Theerthagiri
    Jayaraman Theerthagiri
    Core-Facility Center for Photochemistry & Nanomaterials, Department of Chemistry (BK21 FOUR), Research Institute of Natural Sciences, Gyeongsang National University, Jinju 52828, Republic of Korea
  • Panneerselvam Vengatesh
    Panneerselvam Vengatesh
    Centre of Excellence for Energy Research, Sathyabama Institute of Science and Technology, Chennai 600119, India
  • Shyju Thankaraj Salammal
    Shyju Thankaraj Salammal
    Centre of Excellence for Energy Research, Sathyabama Institute of Science and Technology, Chennai 600119, India
    Centre for Nanoscience and Nanotechnology, Sathyabama Institute of Science and Technology, Chennai 600119, India
  • Naveena Paramasivam
    Naveena Paramasivam
    Condensed Matter Theory Lab, Department of Physics, National Institute of Technology, Tiruchirappalli 620015, India
  • Anandan Sambandam
    Anandan Sambandam
    Nanomaterials and Solar Conversion Laboratory, Department of Chemistry, National Institute of Technology, Tiruchirappalli 620015, India
  • Jitti Kasemchainan*
    Jitti Kasemchainan
    Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand
    *Email: [email protected]
  • , and 
  • Myong Yong Choi*
    Myong Yong Choi
    Core-Facility Center for Photochemistry & Nanomaterials, Department of Chemistry (BK21 FOUR), Research Institute of Natural Sciences, Gyeongsang National University, Jinju 52828, Republic of Korea
    *Email: [email protected]
Cite this: ACS Appl. Mater. Interfaces 2023, 15, 11, 14546–14556
Publication Date (Web):March 10, 2023
https://doi.org/10.1021/acsami.2c22514
Copyright © 2023 American Chemical Society

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    Abstract

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    The unique structural features of many ternary nitride materials with strong chemical bonding and band gaps above 2.0 eV are limited and are experimentally unexplored. It is important to identify candidate materials for optoelectronic devices, particularly for light-emitting diodes (LEDs) and absorbers in tandem photovoltaics. Here, we fabricated MgSnN2 thin films, as promising II–IV–N2 semiconductors, on stainless-steel, glass, and silicon substrates via combinatorial radio-frequency magnetron sputtering. The structural defects of the MgSnN2 films were studied as a function of the Sn power density, while the Mg and Sn atomic ratios remained constant. Polycrystalline orthorhombic MgSnN2 was grown on the (120) orientation within a wide optical band gap range of ∼2.20–2.17 eV. The carrier densities of 2.18× 1020 to 1.02 × 1021 cm–3, mobilities between 3.75 and 2.24 cm2/Vs, and a decrease in resistivity from 7.64 to 2.73 × 10–3 Ω cm were confirmed by Hall-effect measurements. These high carrier concentrations suggested that the optical band gap measurements were affected by a Burstein–Moss shift. Furthermore, the electrochemical capacitance properties of the optimal MgSnN2 film exhibited an areal capacitance of 152.5 mF/cm2 at 10 mV/s with high retention stability. The experimental and theoretical results showed that MgSnN2 films were effective semiconductor nitrides toward the progression of solar absorbers and LEDs.

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acsami.2c22514.

    • Characterization technique details; various substrate uses; electronic band structure of MgSnN2; Raman spectra of MgSnN2 thin films; XPS spectra of MgSnN2 thin films deposited at Sn power densities of 0.49 and 0.74 W/cm2, respectively; electrical parameters; carrier concentration plots; mobility plots; and resistivity plots (PDF)

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